N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide

C7H15NO2S2 — CID 21026376

IUPACN-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide
SMILESCC(S)SC(C)C(=O)NCCO
InChIInChI=1S/C7H15NO2S2/c1-5(12-6(2)11)7(10)8-3-4-9/h5-6,9,11H,3-4H2,1-2H3,(H,8,10)
InChIKeyHVRZUYSTLYORBZ-UHFFFAOYSA-N
MW209.34 g/mol
LogP0.49
Rot. Bonds5

About N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide

N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide (PubChem CID 21026376) has the molecular formula C7H15NO2S2 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide
PubChem CID21026376
Molecular FormulaC7H15NO2S2
Molecular Weight209.34 g/mol
Exact Mass209.05
IUPAC NameN-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide
SMILESCC(S)SC(C)C(=O)NCCO
InChIInChI=1S/C7H15NO2S2/c1-5(12-6(2)11)7(10)8-3-4-9/h5-6,9,11H,3-4H2,1-2H3,(H,8,10)
InChIKeyHVRZUYSTLYORBZ-UHFFFAOYSA-N
XLogP0.49
TPSA49.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide (CID 21026376) is N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide is CC(S)SC(C)C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide?
The InChIKey is HVRZUYSTLYORBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2S2/c1-5(12-6(2)11)7(10)8-3-4-9/h5-6,9,11H,3-4H2,1-2H3,(H,8,10).
What are the key properties of N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide?
N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide has a molecular weight of 209.34 g/mol, XLogP of 0.49, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1-sulfanylethylsulfanyl)propanamide is sourced from PubChem (CID 21026376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).